SCHEMBL20249263

SCHEMBL20249263

CN(C)C1CCN(c2ccc(C(C)(C)C)nn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.39
CDK6 Q00534 7/20 0.39
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MAP4K4 O95819 1/20 0.37
PARP1 P09874 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20249519 0.83 HRH4 (0.41) HRH4HRH3MAP4K4
SCHEMBL20249147 0.81 LMNA (0.40)
SCHEMBL20037583 0.81 CDK4 (0.40) CDK4CDK6MAP4K4PARP1L3MBTL3
SCHEMBL20249141 0.79 LMNA (0.38) HRH4
SCHEMBL20249235 0.79 HRH4 (0.48) CDK4CDK6HRH4HRH3
SCHEMBL20249458 0.79 MAP4K4 (0.44) HRH3MAP4K4
SCHEMBL20249317 0.78 SOS1 (0.32)
SCHEMBL1977570 0.78 LMNA (0.57)
SCHEMBL13768873 0.78 MAP4K4 (0.44) CDK4CDK6MAP4K4PARP1L3MBTL3
SCHEMBL12557337 0.78 CDK4 (0.39) CDK4CDK6HRH4HRH3MAP4K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 CDK4 1/4885CDK6 2/4885HRH4 1763/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.